In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08019FW6 |
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Common Name | PIP2[3',5'](14:1(9Z)/10:0) |
Systematic Name | 1-(9Z-tetradecenoyl)-2-decanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate |
Synonyms | PIP2[3',5'](24:1); PIP2(10:0_14:1) |
Exact Mass | |
Formula | C33H63O19P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Diacylglycerophosphoinositol bisphosphates [GP0801] |
PubChem Compound ID (CID) | - |
InChIKey | NBEMJYXAQMRMRW-RIPKTNQASA-N |
InChI | InChI=1S/C33H63O19P3/c1-3-5-7-9-11-12-13-14-16-17-19-21-26(34)47-23-25(49-27(35) 22-20-18-15-10-8-6-4-2)24-48-55(45,46)52-33-29(37)31(50-53(39,40)41)28(36)32(30( 33)38)51-54(42,43)44/h9,11,25,28-33,36-38H,3-8,10,12-24H2,1-2H3,(H,45,46)(H2,39, 40,41)(H2,42,43,44)/b11-9-/t25-,28?,29?,30?,31-,32?,33-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O )O)C1O)COC(CCCCCCC/C=C\CCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |